#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hqq h ILE 17 N 0.00 1.18 -2.83 -0.61 2.04 -1.98 -3.46 117.51 111.85 1hqq h ILE 17 Ca 0.00 -2.76 -0.55 0.00 1.00 0.00 0.00 64.86 62.55 1hqq h ILE 17 Cb 0.00 2.84 0.07 0.00 -0.74 0.00 0.00 36.82 39.00 1hqq h ILE 17 CO 0.00 0.84 0.83 0.41 0.00 0.00 0.00 178.15 180.23 1hqq n THR 18 N -3.55 0.62 0.00 -0.27 -1.04 -1.26 -4.81 114.28 103.98 1hqq n THR 18 Ca -0.17 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 1hqq n THR 18 Cb 1.06 -1.78 0.00 0.00 -1.82 0.00 0.00 70.33 67.79 1hqq n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1hqq n GLY 19 N 2.74 0.93 3.73 3.41 0.00 0.19 -5.00 105.19 111.19 1hqq n GLY 19 Ca 0.12 -1.94 -0.35 0.00 0.00 0.00 0.00 46.02 43.85 1hqq n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1hqq s THR 20 N -2.20 5.37 0.12 2.61 2.01 -1.26 -1.19 115.64 121.10 1hqq s THR 20 Ca 0.00 0.17 0.09 0.00 0.31 0.00 0.00 61.69 62.26 1hqq s THR 20 Cb 0.00 -3.44 -0.04 0.00 0.01 0.00 0.00 72.50 69.03 1hqq s THR 20 CO 0.00 0.45 -0.22 0.26 -0.69 0.00 0.00 174.62 174.43 1hqq s TRP 21 N 0.26 1.91 -0.01 4.92 0.52 0.13 -4.67 118.94 122.01 1hqq s TRP 21 Ca 0.08 -0.41 0.05 0.00 0.02 0.00 0.00 56.10 55.84 1hqq s TRP 21 Cb -0.11 -1.03 -0.01 0.00 -1.15 0.00 0.00 33.47 31.17 1hqq s TRP 21 CO -0.01 0.26 -0.16 0.71 0.02 0.00 0.00 176.95 177.77 1hqq s TYR 22 N -1.28 1.44 0.34 -1.98 2.02 -0.13 -0.18 117.35 117.58 1hqq s TYR 22 Ca 0.10 -0.28 0.05 0.00 -0.37 0.00 0.00 57.07 56.57 1hqq s TYR 22 Cb -0.09 -0.93 0.05 0.00 -0.40 0.00 0.00 41.96 40.59 1hqq s TYR 22 CO 0.05 -0.03 0.38 0.27 -1.57 0.00 0.00 175.55 174.65 1hqq n ASN 23 N 2.70 1.60 -0.04 2.29 6.94 -1.10 -0.43 115.26 127.22 1hqq n ASN 23 Ca -0.15 -2.01 0.13 0.00 -0.02 0.00 0.00 54.58 52.54 1hqq n ASN 23 Cb 0.54 -0.16 0.48 0.00 -2.36 0.00 0.00 39.78 38.29 1hqq n ASN 23 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1hqq n GLN 24 N -1.55 0.21 0.04 -3.83 6.02 -1.25 -3.96 117.38 113.06 1hqq n GLN 24 Ca 0.05 -0.08 -0.04 0.00 -0.01 0.00 0.00 57.00 56.92 1hqq n GLN 24 Cb 0.37 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 30.03 1hqq n GLN 24 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1hqq h LEU 25 N 0.19 0.00 0.00 1.08 3.38 -1.95 -3.48 115.31 114.53 1hqq h LEU 25 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1hqq h LEU 25 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1hqq h LEU 25 CO 0.00 0.82 0.00 0.61 0.09 0.00 0.00 178.44 179.96 1hqq n GLY 26 N 1.42 1.95 3.78 0.83 0.00 -1.25 -5.06 105.19 106.85 1hqq n GLY 26 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 1hqq n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hqq s SER 27 N -1.95 5.50 -0.08 1.61 0.01 -1.26 -1.01 113.70 116.52 1hqq s SER 27 Ca 0.00 -0.09 0.04 0.00 1.31 0.00 0.00 55.95 57.21 1hqq s SER 27 Cb 0.00 -1.44 -0.01 0.00 0.21 0.00 0.00 66.02 64.78 1hqq s SER 27 CO 0.00 0.11 -0.22 -0.89 0.41 0.00 0.00 173.24 172.65 1hqq s THR 28 N -1.59 2.25 -0.29 1.44 2.01 0.18 -2.72 115.64 116.91 1hqq s THR 28 Ca 0.30 -0.97 -0.01 0.00 0.31 0.00 0.00 61.69 61.32 1hqq s THR 28 Cb -0.11 -1.86 0.05 0.00 0.01 0.00 0.00 72.50 70.60 1hqq s THR 28 CO 0.23 0.56 -0.03 0.12 -0.69 0.00 0.00 174.62 174.81 1hqq s PHE 29 N 0.09 3.25 -0.30 4.92 5.36 0.74 -0.74 117.98 131.30 1hqq s PHE 29 Ca -0.10 -1.95 -0.08 0.00 -0.96 0.00 0.00 56.93 53.83 1hqq s PHE 29 Cb -0.16 -2.07 -0.01 0.00 -0.34 0.00 0.00 43.02 40.45 1hqq s PHE 29 CO 0.06 -0.82 0.12 0.42 -1.46 0.00 0.00 175.22 173.54 1hqq s ILE 30 N 1.22 4.36 0.08 3.12 1.01 -0.30 0.23 121.20 130.91 1hqq s ILE 30 Ca -0.06 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.15 1hqq s ILE 30 Cb -0.20 -3.20 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 1hqq s ILE 30 CO -0.02 0.11 -0.08 0.54 0.00 0.00 0.00 174.94 175.50 1hqq s VAL 31 N 1.58 0.69 -0.09 2.92 0.11 -0.33 -1.10 120.40 124.17 1hqq s VAL 31 Ca 0.04 -1.58 0.02 0.00 -2.93 0.00 0.00 61.98 57.53 1hqq s VAL 31 Cb -0.17 -1.24 0.01 0.00 -1.53 0.00 0.00 36.38 33.45 1hqq s VAL 31 CO 0.05 -0.64 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.15 1hqq s THR 32 N -2.60 1.35 -0.33 5.04 2.01 -0.02 -0.64 115.64 120.45 1hqq s THR 32 Ca 0.03 -0.57 -0.14 0.00 0.31 0.00 0.00 61.69 61.32 1hqq s THR 32 Cb -0.02 -1.24 -0.02 0.00 0.01 0.00 0.00 72.50 71.23 1hqq s THR 32 CO -0.02 0.41 0.29 0.00 -0.69 0.00 0.00 174.62 174.61 1hqq s ALA 33 N 0.92 3.51 0.53 7.40 0.00 -1.26 -2.29 121.76 130.58 1hqq s ALA 33 Ca -0.09 -1.22 -0.16 0.00 0.00 0.00 0.00 51.96 50.50 1hqq s ALA 33 Cb -0.15 -2.71 -0.07 0.00 0.00 0.00 0.00 23.12 20.19 1hqq s ALA 33 CO 0.00 -0.92 1.00 0.20 0.00 0.00 0.00 175.76 176.04 1hqq s GLY 34 N 1.73 2.03 0.61 0.00 0.00 0.10 -4.91 107.32 106.88 1hqq s GLY 34 Ca 0.09 0.18 0.39 0.00 0.00 0.00 0.00 44.72 45.38 1hqq s GLY 34 CO 0.11 0.46 2.19 0.00 0.00 0.00 0.00 173.10 175.86 1hqq h ALA 35 N 0.74 1.01 -0.11 3.20 0.00 -1.98 -2.28 119.26 119.84 1hqq h ALA 35 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1hqq h ALA 35 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1hqq h ALA 35 CO 0.61 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.46 1hqq n ASP 36 N -3.10 1.43 0.00 0.00 5.75 -1.26 -4.90 116.55 114.47 1hqq n ASP 36 Ca -0.01 -1.60 0.00 0.00 -0.01 0.00 0.00 54.79 53.16 1hqq n ASP 36 Cb 0.18 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 1hqq n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1hqq n GLY 37 N 1.11 0.89 3.86 6.12 0.00 -0.86 -4.96 105.19 111.35 1hqq n GLY 37 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1hqq n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hqq s ALA 38 N -2.03 3.60 -0.10 4.61 0.00 -1.25 -1.21 121.76 125.38 1hqq s ALA 38 Ca 0.00 -0.22 0.03 0.00 0.00 0.00 0.00 51.96 51.76 1hqq s ALA 38 Cb 0.00 -2.45 0.01 0.00 0.00 0.00 0.00 23.12 20.68 1hqq s ALA 38 CO 0.00 0.49 -0.18 -0.51 0.00 0.00 0.00 175.76 175.56 1hqq s LEU 39 N -2.28 1.88 0.02 0.00 1.43 -0.16 0.00 118.68 119.57 1hqq s LEU 39 Ca 0.41 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 53.03 1hqq s LEU 39 Cb -0.13 -1.19 -0.02 0.00 0.03 0.00 0.00 46.19 44.87 1hqq s LEU 39 CO 0.20 0.07 -0.02 0.42 0.23 0.00 0.00 176.35 177.26 1hqq s THR 40 N 0.71 0.10 -3.45 5.49 -4.23 -0.97 -0.63 115.64 112.66 1hqq s THR 40 Ca -0.12 -0.82 0.00 0.00 -1.18 0.00 0.00 61.69 59.57 1hqq s THR 40 Cb -0.16 -0.25 0.00 0.00 1.34 0.00 0.00 72.50 73.43 1hqq s THR 40 CO 0.02 -0.45 0.00 0.61 -0.54 0.00 0.00 174.62 174.26 1hqq n GLY 41 N 1.71 -0.57 3.00 3.99 0.00 -0.96 -0.84 105.19 111.51 1hqq n GLY 41 Ca -0.23 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 45.00 1hqq n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1hqq s THR 42 N -3.77 0.11 -0.12 2.61 -4.23 -0.26 -2.03 115.64 107.95 1hqq s THR 42 Ca 0.00 -0.88 0.02 0.00 -1.18 0.00 0.00 61.69 59.65 1hqq s THR 42 Cb 0.00 -0.29 0.00 0.00 1.34 0.00 0.00 72.50 73.55 1hqq s THR 42 CO 0.00 -0.49 -0.20 -0.47 -0.54 0.00 0.00 174.62 172.92 1hqq s TYR 43 N -1.46 2.66 0.18 3.99 6.14 0.22 -1.16 117.35 127.93 1hqq s TYR 43 Ca -0.16 -1.06 -0.07 0.00 0.64 0.00 0.00 57.07 56.42 1hqq s TYR 43 Cb -0.10 -1.79 -0.02 0.00 0.42 0.00 0.00 41.96 40.48 1hqq s TYR 43 CO -0.01 -0.45 0.26 -1.83 0.64 0.00 0.00 175.55 174.16 1hqq s GLU 44 N 0.54 1.20 1.01 4.97 -1.05 0.08 -1.17 118.70 124.28 1hqq s GLU 44 Ca -0.12 -1.30 -0.15 0.00 -0.15 0.00 0.00 54.97 53.25 1hqq s GLU 44 Cb -0.17 0.36 0.20 0.00 -0.44 0.00 0.00 34.13 34.08 1hqq s GLU 44 CO 0.04 -0.43 1.14 -1.54 0.95 0.00 0.00 175.26 175.43 1hqq s SER 45 N -3.02 2.58 0.26 0.83 1.04 -1.24 0.48 113.70 114.63 1hqq s SER 45 Ca 0.23 0.83 -0.02 0.00 0.48 0.00 0.00 55.95 57.47 1hqq s SER 45 Cb 0.04 -1.27 0.48 0.00 0.10 0.00 0.00 66.02 65.37 1hqq s SER 45 CO 0.04 -3.11 1.79 0.00 0.98 0.00 0.00 173.24 172.94 1hqq h ALA 46 N -1.89 1.27 0.40 5.32 0.00 -1.41 -2.35 119.26 120.60 1hqq h ALA 46 Ca -0.49 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 1hqq h ALA 46 Cb 1.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1hqq h ALA 46 CO 0.51 0.02 -0.19 0.28 0.00 0.00 0.00 179.25 179.87 1hqq h VAL 47 N 0.74 0.54 -0.16 0.00 2.07 -1.92 -3.49 116.25 114.04 1hqq h VAL 47 Ca 0.44 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1hqq h VAL 47 Cb 0.52 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1hqq h VAL 47 CO -0.30 0.08 0.00 0.61 0.02 0.00 0.00 177.57 177.98 1hqq n GLY 48 N -0.42 1.09 3.82 2.17 0.00 -0.88 -5.08 105.19 105.89 1hqq n GLY 48 Ca -0.10 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 1hqq n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1hqq s ASN 49 N -2.53 5.33 0.24 1.61 2.20 -1.26 -4.91 114.94 115.62 1hqq s ASN 49 Ca 0.00 1.57 -0.06 0.00 -0.94 0.00 0.00 52.86 53.43 1hqq s ASN 49 Cb 0.00 -2.44 0.42 0.00 -2.00 0.00 0.00 41.25 37.24 1hqq s ASN 49 CO 0.00 -1.47 1.68 0.00 -2.94 0.00 0.00 177.10 174.37 1hqq h ALA 50 N -0.74 0.87 0.00 3.54 0.00 -1.98 -1.46 119.26 119.50 1hqq h ALA 50 Ca -0.44 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1hqq h ALA 50 Cb 1.22 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1hqq h ALA 50 CO 0.57 -0.35 0.00 0.39 0.00 0.00 0.00 179.25 179.86 1hqq n GLU 51 N -5.19 0.11 -0.29 0.00 1.02 -1.26 -2.60 120.64 112.44 1hqq n GLU 51 Ca 0.13 0.38 0.07 0.00 -0.02 0.00 0.00 57.16 57.72 1hqq n GLU 51 Cb 0.44 -1.73 0.21 0.00 -0.02 0.00 0.00 31.44 30.35 1hqq n GLU 51 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1hqq n SER 52 N -1.94 3.41 -4.71 1.62 3.41 -0.56 -4.75 113.62 110.11 1hqq n SER 52 Ca 0.02 -2.19 -0.36 0.00 -0.26 0.00 0.00 58.87 56.08 1hqq n SER 52 Cb 0.18 -0.35 -0.08 0.00 -0.26 0.00 0.00 64.21 63.71 1hqq n SER 52 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1hqq s ARG 53 N -1.35 4.20 0.03 4.33 3.52 -1.07 -3.69 118.95 124.92 1hqq s ARG 53 Ca 0.33 -0.04 0.04 0.00 -0.13 0.00 0.00 55.73 55.93 1hqq s ARG 53 Cb 0.19 -3.45 -0.02 0.00 -1.56 0.00 0.00 34.95 30.11 1hqq s ARG 53 CO 0.18 0.20 -0.13 0.71 -0.81 0.00 0.00 175.30 175.45 1hqq s TYR 54 N 0.62 1.13 0.31 5.12 1.51 -0.31 -4.79 117.35 120.94 1hqq s TYR 54 Ca 0.13 -0.35 -0.28 0.00 -1.01 0.00 0.00 57.07 55.56 1hqq s TYR 54 Cb -0.13 -0.68 -0.09 0.00 -0.11 0.00 0.00 41.96 40.95 1hqq s TYR 54 CO 0.03 0.02 1.07 0.08 -1.11 0.00 0.00 175.55 175.63 1hqq s VAL 55 N -0.83 3.62 0.03 0.71 1.01 -1.26 -0.61 120.40 123.07 1hqq s VAL 55 Ca 0.01 1.52 0.04 0.00 0.00 0.00 0.00 61.98 63.54 1hqq s VAL 55 Cb -0.08 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 1hqq s VAL 55 CO 0.01 0.28 -0.11 -1.48 0.00 0.00 0.00 175.10 173.80 1hqq s LEU 56 N -1.75 2.15 0.01 3.92 0.05 -0.86 -4.32 118.68 117.87 1hqq s LEU 56 Ca 0.48 -0.39 -0.02 0.00 0.05 0.00 0.00 54.13 54.25 1hqq s LEU 56 Cb -0.28 -0.46 -0.01 0.00 -2.05 0.00 0.00 46.19 43.39 1hqq s LEU 56 CO 0.36 -0.00 0.02 0.28 -0.55 0.00 0.00 176.35 176.46 1hqq s THR 57 N -0.79 0.07 0.00 5.48 -1.32 -1.02 -2.28 115.64 115.79 1hqq s THR 57 Ca -0.01 -0.59 0.00 0.00 -1.21 0.00 0.00 61.69 59.88 1hqq s THR 57 Cb -0.07 -0.23 0.00 0.00 -1.51 0.00 0.00 72.50 70.69 1hqq s THR 57 CO 0.01 -0.33 0.00 0.61 -2.21 0.00 0.00 174.62 172.70 1hqq n GLY 58 N 2.02 1.62 3.08 6.08 0.00 0.20 -0.81 105.19 117.39 1hqq n GLY 58 Ca -0.20 -0.89 -0.08 0.00 0.00 0.00 0.00 46.02 44.84 1hqq n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1hqq s ARG 59 N -1.42 0.56 0.09 1.61 1.81 -0.54 -0.99 118.95 120.08 1hqq s ARG 59 Ca 0.00 -0.91 -0.10 0.00 -1.72 0.00 0.00 55.73 53.00 1hqq s ARG 59 Cb 0.00 0.21 0.01 0.00 -0.45 0.00 0.00 34.95 34.71 1hqq s ARG 59 CO 0.00 -0.12 0.23 1.52 -0.68 0.00 0.00 175.30 176.25 1hqq s TYR 60 N -2.95 0.08 -0.46 -0.53 1.13 -0.35 -1.72 117.35 112.55 1hqq s TYR 60 Ca -0.02 -0.47 -0.29 0.00 -1.41 0.00 0.00 57.07 54.88 1hqq s TYR 60 Cb 0.01 0.00 0.01 0.00 -1.10 0.00 0.00 41.96 40.89 1hqq s TYR 60 CO -0.06 -0.57 1.40 0.34 -2.51 0.00 0.00 175.55 174.15 1hqq s ASP 61 N -2.80 6.29 0.00 -0.18 -1.08 -0.54 -4.57 116.67 113.79 1hqq s ASP 61 Ca 0.04 0.66 0.29 0.00 -0.52 0.00 0.00 52.55 53.02 1hqq s ASP 61 Cb 0.04 -2.54 1.55 0.00 -1.46 0.00 0.00 42.92 40.51 1hqq s ASP 61 CO -0.11 -1.50 2.04 -1.54 0.52 0.00 0.00 175.17 174.58 1hqq n SER 62 N 8.99 0.00 -3.18 -0.34 3.41 -1.26 -4.01 113.62 117.23 1hqq n SER 62 Ca 0.15 -0.33 -0.21 0.00 -0.26 0.00 0.00 58.87 58.22 1hqq n SER 62 Cb 0.48 -0.22 -0.05 0.00 -0.26 0.00 0.00 64.21 64.16 1hqq n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hqq n ALA 63 N -1.22 2.20 -1.03 7.33 0.00 -1.26 -5.04 120.51 121.49 1hqq n ALA 63 Ca 0.16 -3.36 -0.31 0.00 0.00 0.00 0.00 53.44 49.92 1hqq n ALA 63 Cb 0.20 -0.86 0.12 0.00 0.00 0.00 0.00 19.45 18.91 1hqq n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1hqq s PRO 64 N -1.61 1.74 0.85 0.00 0.04 -1.26 -4.99 135.00 129.76 1hqq s PRO 64 Ca 0.37 1.39 -0.12 0.00 0.04 0.00 0.00 61.00 62.68 1hqq s PRO 64 Cb 0.24 -1.82 0.11 0.00 0.04 0.00 0.00 34.50 33.06 1hqq s PRO 64 CO -0.10 -2.07 1.17 0.00 0.04 0.00 0.00 177.00 176.04 1hqq s ALA 65 N -2.70 1.73 -0.23 8.56 0.00 -1.26 -4.95 121.76 122.91 1hqq s ALA 65 Ca 0.65 0.67 0.14 0.00 0.00 0.00 0.00 51.96 53.42 1hqq s ALA 65 Cb -0.21 -3.45 0.57 0.00 0.00 0.00 0.00 23.12 20.03 1hqq s ALA 65 CO 0.55 -2.42 1.50 0.25 0.00 0.00 0.00 175.76 175.64 1hqq n THR 66 N -3.70 2.46 0.82 0.00 -2.24 -1.26 -4.50 114.28 105.86 1hqq n THR 66 Ca 0.12 -2.00 0.10 0.00 -2.27 0.00 0.00 64.05 60.00 1hqq n THR 66 Cb 0.51 -0.29 0.29 0.00 -2.10 0.00 0.00 70.33 68.75 1hqq n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1hqq n ASP 67 N -0.55 2.33 0.00 3.42 5.68 -1.26 -4.88 116.55 121.29 1hqq n ASP 67 Ca 0.27 -1.86 0.00 0.00 -0.50 0.00 0.00 54.79 52.70 1hqq n ASP 67 Cb 1.01 -0.19 0.00 0.00 -1.14 0.00 0.00 41.12 40.80 1hqq n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1hqq n GLY 68 N 1.25 0.62 3.82 6.12 0.00 -1.26 -5.08 105.19 110.66 1hqq n GLY 68 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1hqq n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1hqq s SER 69 N -2.61 5.53 1.06 1.61 0.01 -1.26 -5.05 113.70 112.98 1hqq s SER 69 Ca 0.00 1.66 -0.17 0.00 1.31 0.00 0.00 55.95 58.74 1hqq s SER 69 Cb 0.00 -2.50 0.24 0.00 0.21 0.00 0.00 66.02 63.96 1hqq s SER 69 CO 0.00 -1.34 1.23 -0.83 0.41 0.00 0.00 173.24 172.71 1hqq s GLY 70 N -3.56 1.70 -0.32 3.44 0.00 -1.26 -4.82 107.32 102.50 1hqq s GLY 70 Ca 0.59 -1.09 -0.08 0.00 0.00 0.00 0.00 44.72 44.14 1hqq s GLY 70 CO 0.50 -0.27 0.12 -1.59 0.00 0.00 0.00 173.10 171.86 1hqq s THR 71 N -3.51 4.14 0.34 0.90 2.01 -0.51 -4.75 115.64 114.26 1hqq s THR 71 Ca 0.73 -0.76 -0.28 0.00 0.31 0.00 0.00 61.69 61.68 1hqq s THR 71 Cb -0.06 -3.20 -0.10 0.00 0.01 0.00 0.00 72.50 69.14 1hqq s THR 71 CO 0.54 -0.03 1.29 0.00 -0.69 0.00 0.00 174.62 175.73 1hqq s ALA 72 N 1.51 3.46 0.29 7.40 0.00 -1.26 -0.97 121.76 132.19 1hqq s ALA 72 Ca 0.02 1.23 -0.20 0.00 0.00 0.00 0.00 51.96 53.01 1hqq s ALA 72 Cb -0.18 -3.47 0.03 0.00 0.00 0.00 0.00 23.12 19.50 1hqq s ALA 72 CO 0.04 -0.62 0.74 -0.48 0.00 0.00 0.00 175.76 175.44 1hqq s LEU 73 N -1.85 -0.22 -0.09 0.00 0.05 -0.56 -1.47 118.68 114.55 1hqq s LEU 73 Ca 0.50 -0.68 -0.30 0.00 0.05 0.00 0.00 54.13 53.69 1hqq s LEU 73 Cb -0.39 2.72 0.11 0.00 -2.05 0.00 0.00 46.19 46.59 1hqq s LEU 73 CO 0.51 -1.38 0.94 -0.83 -0.55 0.00 0.00 176.35 175.05 1hqq s GLY 74 N -2.95 -0.37 0.20 -3.48 0.00 -0.70 -1.79 107.32 98.23 1hqq s GLY 74 Ca 0.12 1.53 -0.15 0.00 0.00 0.00 0.00 44.72 46.22 1hqq s GLY 74 CO 0.07 0.70 0.46 0.66 0.00 0.00 0.00 173.10 175.00 1hqq s TRP 75 N -2.04 0.07 0.06 1.90 -2.14 -0.68 -1.46 118.94 114.64 1hqq s TRP 75 Ca 0.01 -0.42 0.05 0.00 2.66 0.00 0.00 56.10 58.40 1hqq s TRP 75 Cb -0.01 0.27 -0.03 0.00 -3.10 0.00 0.00 33.47 30.60 1hqq s TRP 75 CO -0.03 -0.89 -0.14 0.99 -2.66 0.00 0.00 176.95 174.22 1hqq s THR 76 N -3.92 1.13 -0.05 0.66 2.01 0.01 -1.34 115.64 114.15 1hqq s THR 76 Ca 0.13 -1.21 -0.01 0.00 0.31 0.00 0.00 61.69 60.91 1hqq s THR 76 Cb -0.00 -1.07 0.03 0.00 0.01 0.00 0.00 72.50 71.47 1hqq s THR 76 CO -0.00 -0.14 0.02 -0.69 -0.69 0.00 0.00 174.62 173.12 1hqq s VAL 77 N -1.12 0.19 -0.17 3.82 1.01 -0.49 -2.43 120.40 121.21 1hqq s VAL 77 Ca -0.00 0.20 -0.16 0.00 0.00 0.00 0.00 61.98 62.02 1hqq s VAL 77 Cb -0.09 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 1hqq s VAL 77 CO 0.02 0.21 0.38 0.00 0.00 0.00 0.00 175.10 175.71 1hqq s ALA 78 N 1.81 3.55 -0.89 5.51 0.00 -1.26 -1.14 121.76 129.34 1hqq s ALA 78 Ca 0.02 -0.43 -0.07 0.00 0.00 0.00 0.00 51.96 51.48 1hqq s ALA 78 Cb -0.12 -2.56 -0.13 0.00 0.00 0.00 0.00 23.12 20.30 1hqq s ALA 78 CO -0.04 -0.11 2.88 0.91 0.00 0.00 0.00 175.76 179.40 1hqq n TRP 79 N 4.01 1.32 -3.83 0.00 7.02 0.05 -4.77 117.44 121.24 1hqq n TRP 79 Ca -0.09 -2.21 -0.14 0.00 -1.02 0.00 0.00 57.50 54.05 1hqq n TRP 79 Cb 0.51 -1.94 -0.15 0.00 -2.42 0.00 0.00 31.31 27.31 1hqq n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1hqq s LYS 80 N 2.09 -0.00 0.00 -0.99 2.20 -1.26 -0.72 119.74 121.06 1hqq s LYS 80 Ca 0.59 0.10 0.00 0.00 -0.36 0.00 0.00 55.97 56.30 1hqq s LYS 80 Cb 0.20 -0.15 0.00 0.00 -1.51 0.00 0.00 37.83 36.37 1hqq s LYS 80 CO -0.03 -0.09 0.00 0.27 -0.36 0.00 0.00 175.35 175.14 1hqq n ASN 81 N 3.68 0.24 0.00 1.43 0.23 -0.46 -4.76 115.26 115.61 1hqq n ASN 81 Ca -0.21 -0.60 0.11 0.00 -0.53 0.00 0.00 54.58 53.35 1hqq n ASN 81 Cb 0.55 0.00 0.61 0.00 -2.08 0.00 0.00 39.78 38.85 1hqq n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1hqq n ASN 82 N -1.66 0.00 0.00 0.53 3.02 -1.26 -3.89 115.26 112.00 1hqq n ASN 82 Ca 0.00 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 54.05 1hqq n ASN 82 Cb 0.00 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 1hqq n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1hqq n TYR 83 N -1.08 0.00 -4.22 3.10 4.02 -1.26 -5.10 117.16 112.62 1hqq n TYR 83 Ca 0.14 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.91 1hqq n TYR 83 Cb 0.10 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.32 1hqq n TYR 83 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1hqq s ARG 84 N -1.93 1.01 -0.22 -0.72 0.52 -1.25 -5.14 118.95 111.22 1hqq s ARG 84 Ca 0.00 -1.46 -0.04 0.00 -0.52 0.00 0.00 55.73 53.71 1hqq s ARG 84 Cb 0.00 -0.31 0.11 0.00 0.52 0.00 0.00 34.95 35.27 1hqq s ARG 84 CO 0.00 -0.06 0.37 1.21 0.02 0.00 0.00 175.30 176.85 1hqq s ASN 85 N -3.13 0.14 0.00 0.23 3.84 -1.26 -1.35 114.94 113.40 1hqq s ASN 85 Ca 0.19 0.48 0.19 0.00 0.21 0.00 0.00 52.86 53.92 1hqq s ASN 85 Cb 0.05 1.13 0.52 0.00 -0.55 0.00 0.00 41.25 42.40 1hqq s ASN 85 CO 0.01 -0.27 1.44 0.00 -2.79 0.00 0.00 177.10 175.48 1hqq n ALA 86 N 5.37 2.42 -4.05 1.71 0.00 0.10 -4.96 120.51 121.11 1hqq n ALA 86 Ca -0.05 -0.97 -0.33 0.00 0.00 0.00 0.00 53.44 52.09 1hqq n ALA 86 Cb 0.50 -0.95 -0.02 0.00 0.00 0.00 0.00 19.45 18.97 1hqq n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1hqq n HIS 87 N 1.17 -1.51 -3.74 0.00 8.25 -1.26 -4.86 115.22 113.26 1hqq n HIS 87 Ca 0.19 0.49 -0.09 0.00 -0.26 0.00 0.00 57.72 58.06 1hqq n HIS 87 Cb 0.49 -3.19 -0.02 0.00 1.12 0.00 0.00 29.99 28.39 1hqq n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1hqq s SER 88 N -4.03 -0.34 -0.09 0.41 1.04 -1.26 -1.33 113.70 108.10 1hqq s SER 88 Ca 0.20 -0.44 -0.12 0.00 0.48 0.00 0.00 55.95 56.07 1hqq s SER 88 Cb -0.09 0.68 0.03 0.00 0.10 0.00 0.00 66.02 66.74 1hqq s SER 88 CO 0.94 -1.22 0.31 0.00 0.98 0.00 0.00 173.24 174.25 1hqq s ALA 89 N -3.87 -0.78 0.01 5.32 0.00 -0.53 -0.77 121.76 121.13 1hqq s ALA 89 Ca 0.08 0.76 0.08 0.00 0.00 0.00 0.00 51.96 52.88 1hqq s ALA 89 Cb -0.04 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 1hqq s ALA 89 CO 0.01 -0.18 -0.26 0.99 0.00 0.00 0.00 175.76 176.33 1hqq s THR 90 N -0.19 2.15 -0.04 0.00 2.01 -0.30 -1.11 115.64 118.16 1hqq s THR 90 Ca -0.03 -1.23 0.05 0.00 0.31 0.00 0.00 61.69 60.78 1hqq s THR 90 Cb -0.03 -1.79 -0.01 0.00 0.01 0.00 0.00 72.50 70.68 1hqq s THR 90 CO 0.01 0.47 -0.19 0.42 -0.69 0.00 0.00 174.62 174.65 1hqq s THR 91 N -0.72 1.54 -0.12 -0.82 -4.23 -0.50 -1.39 115.64 109.40 1hqq s THR 91 Ca 0.11 -0.78 -0.01 0.00 -1.18 0.00 0.00 61.69 59.83 1hqq s THR 91 Cb -0.10 -1.32 -0.02 0.00 1.34 0.00 0.00 72.50 72.40 1hqq s THR 91 CO 0.01 0.44 -0.10 0.26 -0.54 0.00 0.00 174.62 174.68 1hqq s TRP 92 N -0.03 2.87 -0.07 3.99 0.51 -0.45 -1.22 118.94 124.54 1hqq s TRP 92 Ca -0.03 -0.46 0.03 0.00 -2.12 0.00 0.00 56.10 53.52 1hqq s TRP 92 Cb -0.12 -1.84 0.01 0.00 -0.81 0.00 0.00 33.47 30.71 1hqq s TRP 92 CO 0.02 -0.09 -0.16 0.45 -0.51 0.00 0.00 176.95 176.67 1hqq s SER 93 N 0.17 2.13 0.00 2.95 0.15 -0.13 -1.69 113.70 117.28 1hqq s SER 93 Ca -0.06 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.23 1hqq s SER 93 Cb -0.15 -0.95 0.00 0.00 -1.71 0.00 0.00 66.02 63.21 1hqq s SER 93 CO 0.04 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.17 1hqq n GLY 94 N 3.69 1.17 3.18 9.45 0.00 -0.74 -1.32 105.19 120.62 1hqq n GLY 94 Ca -0.22 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 1hqq n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1hqq s GLN 95 N 1.83 0.53 -0.10 1.61 -2.07 -0.68 -1.49 119.66 119.29 1hqq s GLN 95 Ca 0.00 -0.14 -0.18 0.00 -1.82 0.00 0.00 55.36 53.22 1hqq s GLN 95 Cb 0.00 0.23 -0.04 0.00 -1.09 0.00 0.00 33.01 32.11 1hqq s GLN 95 CO 0.00 -0.13 0.48 -0.47 -1.32 0.00 0.00 175.29 173.85 1hqq s TYR 96 N -1.02 3.54 -0.23 9.60 5.04 -0.14 -1.70 117.35 132.43 1hqq s TYR 96 Ca -0.11 0.92 0.01 0.00 -2.44 0.00 0.00 57.07 55.45 1hqq s TYR 96 Cb -0.05 -2.53 0.04 0.00 0.35 0.00 0.00 41.96 39.77 1hqq s TYR 96 CO 0.03 0.22 -0.14 0.08 -1.34 0.00 0.00 175.55 174.40 1hqq s VAL 97 N 0.43 2.24 0.85 3.14 1.01 0.62 -1.43 120.40 127.26 1hqq s VAL 97 Ca 0.26 -1.28 -0.13 0.00 0.00 0.00 0.00 61.98 60.84 1hqq s VAL 97 Cb -0.15 -2.15 0.11 0.00 0.00 0.00 0.00 36.38 34.18 1hqq s VAL 97 CO 0.11 0.22 1.20 -0.83 0.00 0.00 0.00 175.10 175.80 1hqq s GLY 98 N 1.21 1.62 0.00 4.51 0.00 -1.26 -1.20 107.32 112.20 1hqq s GLY 98 Ca -0.02 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 43.96 1hqq s GLY 98 CO -0.08 -0.20 0.00 0.61 0.00 0.00 0.00 173.10 173.44 1hqq n GLY 99 N -3.32 1.01 0.30 0.20 0.00 -1.26 -4.65 105.19 97.46 1hqq n GLY 99 Ca 0.09 -2.03 0.12 0.00 0.00 0.00 0.00 46.02 44.20 1hqq n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1hqq h ALA 100 N 0.00 2.13 -2.25 4.61 0.00 -2.07 -2.47 119.26 119.22 1hqq h ALA 100 Ca 0.00 -0.01 -0.59 0.00 0.00 0.00 0.00 54.91 54.31 1hqq h ALA 100 Cb 0.00 0.01 -0.42 0.00 0.00 0.00 0.00 17.79 17.38 1hqq h ALA 100 CO 0.00 -0.20 -0.65 -1.91 0.00 0.00 0.00 179.25 176.49 1hqq n GLU 101 N -4.46 2.94 -1.40 0.00 0.00 -1.26 -5.08 120.64 111.39 1hqq n GLU 101 Ca 0.01 -4.75 -0.35 0.00 0.00 0.00 0.00 57.16 52.06 1hqq n GLU 101 Cb 0.25 -2.22 0.10 0.00 0.00 0.00 0.00 31.44 29.57 1hqq n GLU 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1hqq n ALA 102 N 0.11 0.51 -3.46 4.31 0.00 -0.93 -4.95 120.51 116.10 1hqq n ALA 102 Ca 0.30 -0.18 -0.10 0.00 0.00 0.00 0.00 53.44 53.46 1hqq n ALA 102 Cb 0.40 -2.28 -0.02 0.00 0.00 0.00 0.00 19.45 17.55 1hqq n ALA 102 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1hqq s ARG 103 N -3.76 1.06 -0.21 0.00 1.70 -0.34 -4.25 118.95 113.15 1hqq s ARG 103 Ca 0.78 -0.38 0.01 0.00 -0.47 0.00 0.00 55.73 55.67 1hqq s ARG 103 Cb -0.33 0.49 0.04 0.00 -0.57 0.00 0.00 34.95 34.57 1hqq s ARG 103 CO 0.46 -0.46 -0.13 0.42 -1.08 0.00 0.00 175.30 174.51 1hqq s ILE 104 N -3.41 1.89 -0.25 4.99 1.01 -0.54 -0.28 121.20 124.61 1hqq s ILE 104 Ca 0.03 -1.14 -0.12 0.00 0.00 0.00 0.00 60.65 59.42 1hqq s ILE 104 Cb -0.01 -1.89 -0.05 0.00 0.01 0.00 0.00 42.46 40.52 1hqq s ILE 104 CO -0.11 0.23 0.24 0.20 0.00 0.00 0.00 174.94 175.50 1hqq s ASN 105 N 1.30 6.18 0.21 3.58 0.02 -0.69 -0.95 114.94 124.58 1hqq s ASN 105 Ca -0.01 0.19 0.02 0.00 -1.02 0.00 0.00 52.86 52.03 1hqq s ASN 105 Cb -0.16 -2.15 -0.05 0.00 0.02 0.00 0.00 41.25 38.91 1hqq s ASN 105 CO -0.09 -0.02 0.04 0.42 0.02 0.00 0.00 177.10 177.47 1hqq s THR 106 N 1.41 0.63 0.01 1.60 -4.23 -0.24 -1.68 115.64 113.13 1hqq s THR 106 Ca 0.11 -1.99 0.04 0.00 -1.18 0.00 0.00 61.69 58.67 1hqq s THR 106 Cb -0.15 -2.32 -0.01 0.00 1.34 0.00 0.00 72.50 71.36 1hqq s THR 106 CO 0.07 -0.29 -0.12 -1.10 -0.54 0.00 0.00 174.62 172.64 1hqq s GLN 107 N -3.96 0.95 0.19 3.99 -0.21 -0.43 -2.16 119.66 118.02 1hqq s GLN 107 Ca 0.29 -0.53 0.05 0.00 0.02 0.00 0.00 55.36 55.19 1hqq s GLN 107 Cb 0.07 -0.92 -0.05 0.00 1.00 0.00 0.00 33.01 33.11 1hqq s GLN 107 CO 0.08 0.24 -0.08 1.67 -2.12 0.00 0.00 175.29 175.09 1hqq s TRP 108 N -0.48 1.49 -0.09 0.91 1.48 0.17 -0.95 118.94 121.47 1hqq s TRP 108 Ca 0.03 -0.77 -0.00 0.00 -1.06 0.00 0.00 56.10 54.30 1hqq s TRP 108 Cb -0.06 -0.79 0.02 0.00 -1.16 0.00 0.00 33.47 31.49 1hqq s TRP 108 CO 0.00 0.11 -0.07 -0.51 -4.06 0.00 0.00 176.95 172.42 1hqq s LEU 109 N -3.26 1.16 -0.29 -4.66 1.43 -0.36 -1.88 118.68 110.82 1hqq s LEU 109 Ca 0.22 -0.25 -0.04 0.00 -1.03 0.00 0.00 54.13 53.03 1hqq s LEU 109 Cb 0.03 -0.74 0.03 0.00 0.03 0.00 0.00 46.19 45.54 1hqq s LEU 109 CO 0.05 -0.11 0.03 -0.22 0.23 0.00 0.00 176.35 176.33 1hqq s LEU 110 N 1.55 3.81 -0.15 1.79 2.96 -0.07 -1.42 118.68 127.15 1hqq s LEU 110 Ca 0.01 -0.99 -0.03 0.00 -0.22 0.00 0.00 54.13 52.89 1hqq s LEU 110 Cb -0.13 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 1hqq s LEU 110 CO -0.06 -0.22 -0.04 -0.89 -1.32 0.00 0.00 176.35 173.82 1hqq s THR 111 N 1.37 3.88 0.07 3.68 2.01 -0.26 -0.73 115.64 125.66 1hqq s THR 111 Ca -0.01 -0.37 0.02 0.00 0.31 0.00 0.00 61.69 61.64 1hqq s THR 111 Cb -0.18 -2.69 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 1hqq s THR 111 CO -0.00 0.50 0.13 -0.44 -0.69 0.00 0.00 174.62 174.12 1hqq s SER 112 N 0.31 5.84 0.03 3.53 0.01 -0.19 -1.45 113.70 121.77 1hqq s SER 112 Ca -0.04 0.10 -0.30 0.00 1.31 0.00 0.00 55.95 57.01 1hqq s SER 112 Cb -0.14 -1.66 -0.06 0.00 0.21 0.00 0.00 66.02 64.37 1hqq s SER 112 CO 0.03 0.17 1.27 -0.83 0.41 0.00 0.00 173.24 174.30 1hqq s GLY 113 N -2.43 2.16 0.24 3.44 0.00 -0.44 -4.86 107.32 105.43 1hqq s GLY 113 Ca 0.31 0.86 0.01 0.00 0.00 0.00 0.00 44.72 45.90 1hqq s GLY 113 CO 0.24 2.22 0.10 -0.51 0.00 0.00 0.00 173.10 175.16 1hqq s THR 114 N 1.58 0.45 0.83 0.90 -4.23 -1.26 -5.02 115.64 108.89 1hqq s THR 114 Ca 0.60 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.99 1hqq s THR 114 Cb -0.30 -2.59 0.09 0.00 1.34 0.00 0.00 72.50 71.04 1hqq s THR 114 CO 0.27 -0.01 1.16 0.42 -0.54 0.00 0.00 174.62 175.92 1hqq s THR 115 N -3.84 2.13 0.33 3.99 -4.23 -1.26 -4.86 115.64 107.91 1hqq s THR 115 Ca 0.38 0.04 0.02 0.00 -1.18 0.00 0.00 61.69 60.95 1hqq s THR 115 Cb 0.08 -2.95 0.24 0.00 1.34 0.00 0.00 72.50 71.20 1hqq s THR 115 CO 0.13 -0.06 1.97 -0.33 -0.54 0.00 0.00 174.62 175.79 1hqq h GLU 116 N -1.17 0.82 0.00 3.99 4.39 -2.01 -2.41 114.58 118.19 1hqq h GLU 116 Ca -0.47 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.09 1hqq h GLU 116 Cb 1.32 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.79 1hqq h GLU 116 CO 0.64 0.60 -0.30 0.00 -1.16 0.00 0.00 179.01 178.79 1hqq h ALA 117 N 1.54 1.43 -0.56 3.43 0.00 -2.06 -2.96 119.26 120.09 1hqq h ALA 117 Ca 0.22 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1hqq h ALA 117 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1hqq h ALA 117 CO -0.04 0.38 0.00 0.09 0.00 0.00 0.00 179.25 179.68 1hqq n ASN 118 N -4.08 3.53 0.11 0.00 3.02 -0.97 -4.55 115.26 112.31 1hqq n ASN 118 Ca -0.02 -1.98 0.05 0.00 -0.03 0.00 0.00 54.58 52.60 1hqq n ASN 118 Cb 0.36 -0.37 0.51 0.00 -0.61 0.00 0.00 39.78 39.66 1hqq n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hqq h ALA 119 N 3.53 1.81 -0.01 5.41 0.00 -1.27 -2.25 119.26 126.49 1hqq h ALA 119 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1hqq h ALA 119 Cb 0.89 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1hqq h ALA 119 CO 0.00 0.17 0.01 0.11 0.00 0.00 0.00 179.25 179.54 1hqq h TRP 120 N 0.33 0.00 -0.78 0.00 5.08 -1.81 -2.51 115.95 116.26 1hqq h TRP 120 Ca 0.09 0.00 -0.56 0.00 1.08 0.00 0.00 58.89 59.50 1hqq h TRP 120 Cb -0.02 0.00 -0.38 0.00 -3.00 0.00 0.00 29.16 25.75 1hqq h TRP 120 CO 0.00 0.00 -0.43 0.36 -1.28 0.00 0.00 178.44 177.09 1hqq n LYS 121 N -4.27 3.34 0.03 0.12 2.85 -0.85 -4.71 118.16 114.68 1hqq n LYS 121 Ca -0.03 -3.94 0.12 0.00 -1.05 0.00 0.00 58.31 53.41 1hqq n LYS 121 Cb 0.10 -2.26 0.17 0.00 -0.65 0.00 0.00 35.03 32.39 1hqq n LYS 121 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1hqq n SER 122 N -0.77 0.61 -4.07 -5.58 3.41 -0.95 -4.89 113.62 101.38 1hqq n SER 122 Ca 0.47 -0.07 -0.30 0.00 -0.26 0.00 0.00 58.87 58.72 1hqq n SER 122 Cb 0.90 0.31 -0.17 0.00 -0.26 0.00 0.00 64.21 65.00 1hqq n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1hqq s THR 123 N -3.11 1.62 0.06 6.66 2.01 -1.26 -1.02 115.64 120.59 1hqq s THR 123 Ca 0.07 -0.70 -0.03 0.00 0.31 0.00 0.00 61.69 61.34 1hqq s THR 123 Cb 0.15 -1.48 -0.05 0.00 0.01 0.00 0.00 72.50 71.14 1hqq s THR 123 CO 0.73 0.47 0.26 -0.76 -0.69 0.00 0.00 174.62 174.62 1hqq s LEU 124 N 1.08 4.34 0.00 4.42 1.43 0.09 -4.92 118.68 125.13 1hqq s LEU 124 Ca -0.04 0.41 0.06 0.00 -1.03 0.00 0.00 54.13 53.53 1hqq s LEU 124 Cb -0.14 -2.95 -0.02 0.00 0.03 0.00 0.00 46.19 43.11 1hqq s LEU 124 CO -0.04 0.17 -0.18 0.54 0.23 0.00 0.00 176.35 177.07 1hqq s VAL 125 N -1.48 1.44 0.00 -1.59 0.11 -1.26 -0.89 120.40 116.73 1hqq s VAL 125 Ca 0.34 -0.89 0.00 0.00 -2.93 0.00 0.00 61.98 58.50 1hqq s VAL 125 Cb -0.13 -1.22 0.00 0.00 -1.53 0.00 0.00 36.38 33.50 1hqq s VAL 125 CO 0.24 0.32 0.00 0.61 -3.33 0.00 0.00 175.10 172.94 1hqq n GLY 126 N 2.39 2.29 3.19 6.54 0.00 -0.79 -4.99 105.19 113.81 1hqq n GLY 126 Ca -0.16 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.77 1hqq n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1hqq s HIS 127 N -7.42 -0.33 0.05 1.61 -3.43 -1.26 -0.65 115.29 103.85 1hqq s HIS 127 Ca 0.00 0.81 0.05 0.00 -0.80 0.00 0.00 55.06 55.12 1hqq s HIS 127 Cb 0.00 0.11 -0.02 0.00 -1.43 0.00 0.00 32.58 31.24 1hqq s HIS 127 CO 0.00 -0.16 -0.15 -0.51 -2.00 0.00 0.00 174.74 171.92 1hqq s ASP 128 N 0.18 1.81 -0.14 7.38 1.01 -0.92 -4.96 116.67 121.03 1hqq s ASP 128 Ca -0.00 -0.50 0.02 0.00 0.71 0.00 0.00 52.55 52.78 1hqq s ASP 128 Cb -0.02 -0.11 0.01 0.00 1.01 0.00 0.00 42.92 43.81 1hqq s ASP 128 CO 0.00 0.04 -0.19 -0.89 0.21 0.00 0.00 175.17 174.34 1hqq s THR 129 N -0.91 1.84 -0.09 -1.27 2.01 -1.26 -1.07 115.64 114.89 1hqq s THR 129 Ca 0.02 -0.84 -0.02 0.00 0.31 0.00 0.00 61.69 61.16 1hqq s THR 129 Cb -0.08 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.74 1hqq s THR 129 CO 0.02 0.51 0.00 -0.36 -0.69 0.00 0.00 174.62 174.10 1hqq s PHE 130 N 1.01 3.16 0.25 4.92 0.40 -0.12 -3.88 117.98 123.72 1hqq s PHE 130 Ca -0.04 0.19 0.05 0.00 -0.60 0.00 0.00 56.93 56.54 1hqq s PHE 130 Cb -0.15 -1.79 -0.05 0.00 0.51 0.00 0.00 43.02 41.54 1hqq s PHE 130 CO -0.04 0.47 -0.04 0.95 0.70 0.00 0.00 175.22 177.26 1hqq s THR 131 N -0.87 1.35 -1.13 0.64 -4.23 0.43 -1.47 115.64 110.37 1hqq s THR 131 Ca 0.13 -2.08 0.28 0.00 -1.18 0.00 0.00 61.69 58.84 1hqq s THR 131 Cb -0.11 -2.38 0.24 0.00 1.34 0.00 0.00 72.50 71.59 1hqq s THR 131 CO 0.02 -0.33 1.81 0.29 -0.54 0.00 0.00 174.62 175.87 1hqq n LYS 132 N -0.49 0.13 -4.79 3.99 5.02 -1.26 -0.95 118.16 119.80 1hqq n LYS 132 Ca -0.05 -0.03 -0.27 0.00 -2.02 0.00 0.00 58.31 55.93 1hqq n LYS 132 Cb 0.63 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 34.00 1hqq n LYS 132 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1hqq s VAL 133 N -2.89 1.84 -1.94 -0.18 1.01 -1.26 -4.88 120.40 112.09 1hqq s VAL 133 Ca 0.17 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 60.91 1hqq s VAL 133 Cb 0.19 -1.58 0.00 0.00 0.00 0.00 0.00 36.38 34.99 1hqq s VAL 133 CO 0.56 0.30 0.49 0.29 0.00 0.00 0.00 175.10 176.73